SCHEMBL4601756

SCHEMBL4601756

CCN(CC)CCCNc1nc(NCCCCCC(=O)O)nc(NCCCN(CC)CC)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.51
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CACNA2D1 P54289 1/20 0.42
KDM5A P29375 3/20 0.41
KDM4C Q9H3R0 2/20 0.41
TOP2A P11388 1/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 3/20 0.40
ADRA1A P35348 1/20 0.40
PRMT1 Q99873 1/20 0.39
PHF8 Q9UPP1 2/20 0.38
KCNH3 Q9ULD8 1/20 0.38
PPARG P37231 4/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
TSHR P16473 3/20 0.38
GPR84 Q9NQS5 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4603234 1.00 PAOX (0.51) PAOXKMT2AKDM4ECACNA2D1KDM5A
SCHEMBL3135531 0.84 PRMT1 (0.52) KMT2AKDM4EALDH1A1ADRA1APRMT1
SCHEMBL8501601 0.84 PRMT1 (0.52) KMT2AKDM4EALDH1A1ADRA1APRMT1
SCHEMBL284282 0.84 PRMT1 (0.52) KMT2AKDM4EALDH1A1ADRA1APRMT1
SCHEMBL8972565 0.83 KMT2A (0.47) KMT2AKDM4EGAAALDH1A1ADRA1A
SCHEMBL3138830 0.83 GPR84 (0.59) KMT2AALDH1A1KCNH3PPARGPPARD
SCHEMBL8971820 0.82 KMT2A (0.42) KMT2AKDM4EALDH1A1ADRA1APRMT1
SCHEMBL16331021 0.82 PRMT1 (0.50) KMT2AKDM4EALDH1A1ADRA1APRMT1
SCHEMBL8972356 0.82 PRMT1 (0.50) KMT2AKDM4EGAAALDH1A1ADRA1A
SCHEMBL3148784 0.82 KMT2A (0.52) KMT2AKDM4EGAAALDH1A1ADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080251758-A1 Triazine Compounds Comprising Substituents Containing Amino Groups and Carboxyl Groups EVONIK DEGUSSA GMBH (DE) 2008-10-16 US disclosed
EP-1948640-A2 TRIAZINE COMPOUNDS COMPRISING SUBSTITUENTS CONTAINING AMINO GROUPS AND CARBOXYL GROUPS Evonik Degussa GmbH (DE) 2008-07-30 EP disclosed
WO-2007057265-A2 TRIAZINE COMPOUNDS COMPRISING SUBSTITUENTS CONTAINING AMINO GROUPS AND CARBOXYL GROUPS EVONIK DEGUSSA GMBH (DE) 2007-05-24 WO disclosed
EP-1787989-A1 Triazine derivatives containing amino and carboxylic acic group Degussa GmbH (DE) 2007-05-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080251758-A1 Triazine Compounds Comprising Substituents Containing Amino Groups and Carboxyl Groups GTF3C5, BAZ2A, AADAC PAOX 3263/4885KMT2A 1207/4885KDM4E 1155/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.